SCHEMBL3963689

SCHEMBL3963689

CC(C)c1cnc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)s1.CCc1sc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2F)nc1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.43
CNR1 P21554 4/20 0.43
RORC P51449 4/20 0.42
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 2/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
MAPT P10636 1/20 0.38
MPL P40238 1/20 0.38
GRM4 Q14833 2/20 0.37
CCNT1 O60563 1/20 0.36
CDK1 P06493 1/20 0.36
CDK4 P11802 1/20 0.36
CCNB1 P14635 1/20 0.36
CCNA2 P20248 1/20 0.36
CCND1 P24385 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
CDK7 P50613 1/20 0.36
CDK9 P50750 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1465579 0.87 ALDH1A1 (0.50) CNR2RORCALDH1A1HSD17B10HPGD
SCHEMBL1465949 0.83 RORC (0.56) CNR2CNR1RORCALDH1A1HSD17B10
SCHEMBL3960775 0.80 CNR2 (0.42) CNR2CNR1RORCALDH1A1HSD17B10
SCHEMBL1464775 0.79 ALDH1A1 (0.52) CNR2RORCALDH1A1HSD17B10HPGD
SCHEMBL1464786 0.78 CNR2 (0.54) CNR2CNR1ALDH1A1CCNT1CDK1
SCHEMBL1466192 0.77 ALDH1A1 (0.60) CNR2CNR1RORCALDH1A1HSD17B10
SCHEMBL1466234 0.77 MEN1 (0.52) CNR2CNR1RORCALDH1A1HSD17B10
SCHEMBL1464685 0.76 RORC (0.57) CNR2CNR1RORCALDH1A1HSD17B10
SCHEMBL1465734 0.75 RORC (0.53) CNR2CNR1RORCALDH1A1HSD17B10
SCHEMBL12095585 0.74 CNR2 (0.59) CNR2CNR1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2081905-A2 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2009-07-29 EP claimed
WO-2008014199-A2 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-01-31 WO claimed
EP-2081905-A2 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2009-07-29 EP disclosed
WO-2008014199-A2 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-01-31 WO disclosed